2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene

C10H10BrCl2F — CID 79447558

IUPAC2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene
SMILESFc1ccc(CC(CCl)CCl)c(Br)c1
InChIInChI=1S/C10H10BrCl2F/c11-10-4-9(14)2-1-8(10)3-7(5-12)6-13/h1-2,4,7H,3,5-6H2
InChIKeyCSIDTODNVSWKNE-UHFFFAOYSA-N
MW300.00 g/mol
LogP4.22
Rot. Bonds4

About 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene

2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene (PubChem CID 79447558) has the molecular formula C10H10BrCl2F and a molecular weight of 300.00 g/mol. Its IUPAC name is 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene
PubChem CID79447558
Molecular FormulaC10H10BrCl2F
Molecular Weight300.00 g/mol
Exact Mass297.93
IUPAC Name2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene
SMILESFc1ccc(CC(CCl)CCl)c(Br)c1
InChIInChI=1S/C10H10BrCl2F/c11-10-4-9(14)2-1-8(10)3-7(5-12)6-13/h1-2,4,7H,3,5-6H2
InChIKeyCSIDTODNVSWKNE-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.00
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-4-fluorobenzene
CID 66035029
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-difluorobenzene
CID 66048611
2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62529583
3-(2-bromo-4-fluorophenyl)-2-chloropropanal
CID 62395523
2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
CID 79419241
3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575189
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
2-bromo-1-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-4-fluorobenzene
CID 66041927
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
2-[(2-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 63498524

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene (CID 79447558) is 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene is Fc1ccc(CC(CCl)CCl)c(Br)c1.
What is the InChIKey of 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene?
The InChIKey is CSIDTODNVSWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2F/c11-10-4-9(14)2-1-8(10)3-7(5-12)6-13/h1-2,4,7H,3,5-6H2.
What are the key properties of 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene?
2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene has a molecular weight of 300.00 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene is sourced from PubChem (CID 79447558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).